Information card for entry 2006963

Structure parameters

• Formula: C16 H20 O5
• Calculated formula: C16 H20 O5
• SMILES: CO[C@@]12OC(=O)C(=C2C[C@@]23[C@@]4([C@H](C1)C)O[C@H]4C[C@]3(O2)C)C
• Title of publication: Methoxyamericanolide B
• Authors of publication: Richardson, Patricia L.; Rodríguez, Abimael D.; Boulanger, Anna; Huang, Songping D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 66 - 68
• a: 9.032 ± 0.003 Å
• b: 9.897 ± 0.002 Å
• c: 16.231 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1450.9 ± 0.6 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295.2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0632
• Goodness-of-fit parameter for significantly intense reflections: 1.783
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No